UCSF

ZINC00389505

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 12 Yes

Popular Name: 2,3,6-Trifluorobenzoic acid 2,3,6-Trifluorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1803845-07-9 , 2358-29-4 , [2358-29-4]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.86 4.31 -54.38 0 2 -1 40 175.085 1 ↓

Vendor Notes

Note Type Comments Provided By
mp 126 - 127 MolMall (formerly Molecular Diversity Preservation International)
mp 127 - 129 MolMall (formerly Molecular Diversity Preservation International)
MP 129 TCI
MP 130 - 131 Enamine Building Blocks
Melting_Point 130-131? Alfa-Aesar
Melting_Point 130-131° Alfa-Aesar
MP 130...131 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Fluorochem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )